A Feynman path-integral variational theory is generalized to two-dimensional polar monolayers, yielding all-coupling polaron energies and masses controlled by one effective Fröhlich constant, αm.
Polarons and Exciton-Polarons in Two-Dimensional Polar Materials
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abstract
We propose a macroscopic theory of optical phonons, Fr{\"o}hlich polarons, and exciton-polarons in two-dimensional (2D) polar crystalline monolayers. Our theory extends the classical macroscopic formulation of the electron-phonon problem in three-dimensional (3D) polar crystals to the new generation of 2D materials. Similarly to the 3D case, in our approach, the effective electron-phonon Hamiltonian is parametrized solely in terms of macroscopic experimentally accessible quantities -- 2D polarizabilities of the monolayer at low and high frequencies. We derive the dispersion of long wave length longitudinal optical (LO) phonons, which can be viewed as a 2D form of the Lyddane-Sachs-Teller relation, and study the formation of 2D Fr{\"o}hlich polarons by adopting the intermediate coupling approximation. Finally, we apply this approach to excitons in polar 2D crystals and derive an effective potential of the electron-hole interaction dressed by LO phonons. Due to a specific dispersion of LO phonons, polarons and exciton-polarons in 2D materials exhibit unique features not found in their 3D counterparts. As an illustration, the polaron and exciton-polaron binding energies are computed for a representative set of 2D polar crystals, demonstrating the interplay between dimensionality, polarizability of materials, and electron-phonon coupling.
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Polarons in two-dimensional polar materials: All-coupling variational theory
A Feynman path-integral variational theory is generalized to two-dimensional polar monolayers, yielding all-coupling polaron energies and masses controlled by one effective Fröhlich constant, αm.